Geometry & MOs

Info

ID:	83205
PubChem CID:	49857280
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-146.23
Dipole, Da:	5.96
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,11cS)-6a,10-dihydroxy-4,4,11c-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-b][1]benzofuran-9-one

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC3=C2C4=CC(=C(C(=C4O3)C=O)O)O)(C)C

DOS

IR

Vibrations